CID 16773197

2-(2-chlorobenzamido)thiophene-3-carboxylic acid

Structural Information

Molecular Formula
C12H8ClNO3S
SMILES
C1=CC=C(C(=C1)C(=O)NC2=C(C=CS2)C(=O)O)Cl
InChI
InChI=1S/C12H8ClNO3S/c13-9-4-2-1-3-7(9)10(15)14-11-8(12(16)17)5-6-18-11/h1-6H,(H,14,15)(H,16,17)
InChIKey
BNTLBVJHMYXNAE-UHFFFAOYSA-N
Compound name
2-[(2-chlorobenzoyl)amino]thiophene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.99133 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.99861 159.7
[M+Na]+ 303.98055 171.0
[M+NH4]+ 299.02515 167.5
[M+K]+ 319.95449 165.2
[M-H]- 279.98405 162.5
[M+Na-2H]- 301.96600 165.7
[M]+ 280.99078 162.6
[M]- 280.99188 162.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.